Effects of oxygen adsorption on the corrosion behavior of the Ti(0001) surface: a DFT investigation
Xiaoting Wang, Dong Xie, Huaiyuan Liu, Yantao Li, Fengjuan Jing, Yongxiang Leng
Abstract
), positively shifting the equilibrium potential and reducing the corrosion rate. The surface vacancy formation energy of Ti on the Ti(0001)/O surface surpasses that on the clean surface. The electrode potential shift for a Ti atom dissolving from the Ti(0001)/O surface is positive, indicating that oxidation impedes the formation of Ti vacancies, rendering Ti atoms less soluble. This study enhances our comprehension of the corrosion mechanism in Ti metal.
Topics & Concepts
AdsorptionElectrochemistryCorrosionMaterials scienceOxygenThermodynamicsPhysical chemistryInorganic chemistryChemical engineeringChemical physicsChemistryMetallurgyElectrodeOrganic chemistryPhysicsEngineeringCorrosion Behavior and InhibitionHydrogen embrittlement and corrosion behaviors in metalsMetal and Thin Film Mechanics